N-ethyl-3-nitro-N-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-ethyl-3-nitro-N-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-ethyl-3-nitro-N-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: N-ethyl-3-nitro-N-phenyl-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-ethyl-3-nitro-N-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-ethyl-3-nitro-N-phenyl-4-[4-(2-pyrimidyl)piperazino]benzenesulfonamide Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4S/c1-2-27(18-7-4-3-5-8-18)33(31,32)19-9-10-20(21(17-19)28(29)30)25-13-15-26(16-14-25)22-23-11-6-12-24-22/h3-12,17H,2,13-16H2,1H3